≥98%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C,Desiccated Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504771523 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504771523 |
| Canonical Smiles | CC(C)(C)C1=C(C=CC(=C1)C2=CC3=C(C=C2)OCO3)OCCN(C)CC(=O)O.Cl |
| IUPAC Name | 2-[2-[4-(1,3-benzodioxol-5-yl)-2-tert-butylphenoxy]ethyl-methylamino]acetic acid;hydrochloride |
| InChIKey | ZQVOAGQZHDAFRM-UHFFFAOYSA-N |
| INCHI | 1S/C22H27NO5.ClH/c1-22(2,3)17-11-15(16-6-8-19-20(12-16)28-14-27-19)5-7-18(17)26-10-9-23(4)13-21(24)25;/h5-8,11-12H,9-10,13-14H2,1-4H3,(H,24,25);1H |
| Isomeric SMILES | CC(C)(C)C1=C(C=CC(=C1)C2=CC3=C(C=C2)OCO3)OCCN(C)CC(=O)O.Cl |
| PubChem CID | 56972229 |
| Molecular Weight | 421.9 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Amino acids and derivatives - Alpha amino acids and derivatives |
| Direct Parent | Alpha amino acids |
| Alternative Parents | Phenylpropanes Benzodioxoles Phenoxy compounds Phenol ethers Alkyl aryl ethers Trialkylamines Amino acids Acetals Oxacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Carbonyl compounds Organopnictogen compounds Hydrocarbon derivatives Hydrochlorides Organic oxides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Alpha-amino acid - Phenylpropane - Benzodioxole - Phenol ether - Phenoxy compound - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Amino acid - Tertiary amine - Tertiary aliphatic amine - Acetal - Ether - Monocarboxylic acid or derivatives - Oxacycle - Organoheterocyclic compound - Carboxylic acid - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrochloride - Carbonyl group - Hydrocarbon derivative - Organic oxide - Amine - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon). |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 G2203264 | Certificate of Analysis | Apr 07, 2025 | L286604 |
| G2203265 | Certificate of Analysis | Apr 07, 2025 | L286604 |
| G2203266 | Certificate of Analysis | Apr 07, 2025 | L286604 |
| G2203267 | Certificate of Analysis | Apr 07, 2025 | L286604 |
| G2203269 | Certificate of Analysis | Apr 07, 2025 | L286604 |
| Solubility | Solvent:DMSO, Max Conc. mg/mL: 42.19, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 21.1, Max Conc. mM: 50 |
|---|---|
| Molecular Weight | 421.900 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 8 |
| Exact Mass | 421.166 Da |
| Monoisotopic Mass | 421.166 Da |
| Topological Polar Surface Area | 68.200 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 520.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 2 |
